3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide

C18H17FN4O2 — CID 58926880

IUPAC3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C18H17FN4O2/c19-13-7-5-12(6-8-13)18(25)9-10-23(11-18)17(24)20-16-14-3-1-2-4-15(14)21-22-16/h1-8,25H,9-11H2,(H2,20,21,22,24)
InChIKeyQPLJVBRLQLRGKP-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.83
Rot. Bonds2

About 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide

3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 58926880) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID58926880
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C18H17FN4O2/c19-13-7-5-12(6-8-13)18(25)9-10-23(11-18)17(24)20-16-14-3-1-2-4-15(14)21-22-16/h1-8,25H,9-11H2,(H2,20,21,22,24)
InChIKeyQPLJVBRLQLRGKP-UHFFFAOYSA-N
XLogP2.83
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide (CID 58926880) is 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is QPLJVBRLQLRGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-7-5-12(6-8-13)18(25)9-10-23(11-18)17(24)20-16-14-3-1-2-4-15(14)21-22-16/h1-8,25H,9-11H2,(H2,20,21,22,24).
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide?
3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 58926880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).